N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide

C14H21N3O — CID 71229207

IUPACN-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide
SMILESCCC(C)(CC)c1cncc(NC(=O)C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-4-14(3,5-2)11-8-15-9-12(16-11)17-13(18)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWIMGBAQLRMSSIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds5

About N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide

N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 71229207) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID71229207
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide
SMILESCCC(C)(CC)c1cncc(NC(=O)C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-4-14(3,5-2)11-8-15-9-12(16-11)17-13(18)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyWIMGBAQLRMSSIH-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide (CID 71229207) is N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide is CCC(C)(CC)c1cncc(NC(=O)C2CC2)n1.
What is the InChIKey of N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is WIMGBAQLRMSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-14(3,5-2)11-8-15-9-12(16-11)17-13(18)10-6-7-10/h8-10H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide?
N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylpentan-3-yl)pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71229207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).